ethane;2H-imidazole

C5H10N2 — CID 91020013

IUPACethane;2H-imidazole
SMILESC1=NCN=C1.CC
InChIInChI=1S/C3H4N2.C2H6/c1-2-5-3-4-1;1-2/h1-2H,3H2;1-2H3
InChIKeyBMISFQAHWDCHEW-UHFFFAOYSA-N
MW98.15 g/mol
LogP1.13
Rot. Bonds

About ethane;2H-imidazole

ethane;2H-imidazole (PubChem CID 91020013) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is ethane;2H-imidazole.

Molecular Properties

Compound Nameethane;2H-imidazole
PubChem CID91020013
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Nameethane;2H-imidazole
SMILESC1=NCN=C1.CC
InChIInChI=1S/C3H4N2.C2H6/c1-2-5-3-4-1;1-2/h1-2H,3H2;1-2H3
InChIKeyBMISFQAHWDCHEW-UHFFFAOYSA-N
XLogP1.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2H-imidazole?
The IUPAC name of ethane;2H-imidazole (CID 91020013) is ethane;2H-imidazole.
What is the SMILES notation for ethane;2H-imidazole?
The canonical SMILES for ethane;2H-imidazole is C1=NCN=C1.CC.
What is the InChIKey of ethane;2H-imidazole?
The InChIKey is BMISFQAHWDCHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H6/c1-2-5-3-4-1;1-2/h1-2H,3H2;1-2H3.
What are the key properties of ethane;2H-imidazole?
ethane;2H-imidazole has a molecular weight of 98.15 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2H-imidazole is sourced from PubChem (CID 91020013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).